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Replication initiator protein REPE54 and cognate DNA sequence with terminal three prime phosphates.

Analyse Replication initiator protein REPE54 and cognate DNA sequence with terminal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7SDP
Type
protein + DNA
Length
274 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'- D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*A)- 3'); DNA…
UniProt
Q0E856
Ligands
MG
Pockets
4 · best druggability 0.62

Structure

x-ray diffraction · 5 distinct chains · 39% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA (5'- D(*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*A)- 3')dna21——
BDNA (5'- D(*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*A)- 3')dna21——
CRepb family plasmid replication initiator proteinprotein22540% helix, 28% strandQ0E856
FUnknown polymer fragmentprotein30% helix, 0% strand—
DUnknown polymer fragmentprotein40% helix, 0% strand—

Ligands and binding sites

  • MG · Magnesium ion · metal · 2 copies · chains A, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13750.620.7841MG
2580.390.8115empty
3510.260.7314empty
4520.250.7313empty

Interfaces

6 interfaces between chains.

  • A–B · 952 Ų buried · 89 hydrogen bonds · nucleic-nucleic
  • B–C · 886 Ų buried · 19 hydrogen bonds · protein-nucleic
  • A–C · 652 Ų buried · 15 hydrogen bonds · protein-nucleic
  • C–F · 190 Ų buried · 3 hydrogen bonds · protein-protein
  • C–D · 187 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 7SDP · Replication Initiator Protein REPE54 and cognate DNA sequence with terminal three prime… · the same entry in another collection · chain A against A, TM-score 1.00

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